| WPO | Name: | 5'-O-{(S)-hydroxy[(prop-2-en-1-yl)oxy]phosphoryl}adenosine | Formula: | C13 H18 N5 O7 P | SMILES: | O=P(O)(OCC=C)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | InChi: | InChI=1S/C13H18N5O7P/c1-2-3-23-26(21,22)24-4-7-9(19)10(20)13(25-7)18-6-17-8-11(14)15-5-16-12(8)18/h2,5-7,9-10,13,19-20H,1,3-4H2,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1 | Definition date: | 2022-10-10 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | 5'-O-{(S)-hydroxy[(prop-2-en-1-yl)oxy]phosphoryl}adenosine |
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| JIP | Name: | N-{[(4R)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl}-N,1-dimethyl-3-phenyl-1H-1,2,4-triazol-5-amine | Formula: | C18 H20 N8 | SMILES: | Cn1nc(nc1N(C)Cc1nc2c(C)ncc(C)n2n1)c1ccccc1 | InChi: | InChI=1S/C18H20N8/c1-12-10-19-13(2)17-20-15(22-26(12)17)11-24(3)18-21-16(23-25(18)4)14-8-6-5-7-9-14/h5-10H,11H2,1-4H3 | Definition date: | 2022-02-01 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | N-{[(4R)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl}-N,1-dimethyl-3-phenyl-1H-1,2,4-triazol-5-amine |
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| KXY | Name: | (2R)-2-[4-[bis(fluoranyl)methyl]-6-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-7-methyl-indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)ethanamide | Formula: | C37 H37 F2 N7 O2 S | SMILES: | Cc1c(cc(C(F)F)c2cn(nc12)[CH](C(=O)Nc3sccn3)c4ncn5c4CCC56CC6)C#Cc7ccc(CN8CCC(CO)CC8)cc7 | InChi: | InChI=1S/C37H37F2N7O2S/c1-23-27(7-6-24-2-4-25(5-3-24)19-44-15-9-26(21-47)10-16-44)18-28(34(38)39)29-20-46(43-31(23)29)33(35(48)42-36-40-14-17-49-36)32-30-8-11-37(12-13-37)45(30)22-41-32/h2-5,14,17-18,20,22,26,33-34,47H,8-13,15-16,19,21H2,1H3,(H,40,42,48)/t33-/m1/s1 | Definition date: | 2022-06-07 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | (2~{R})-2-[4-[bis(fluoranyl)methyl]-6-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-7-methyl-indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-~{N}-(1,3-thiazol-2-yl)ethanamide |
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| KY9 | Name: | (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)ethanamide | Formula: | C35 H33 F3 N6 O3 S | SMILES: | OCC1CCN(CC1)Cc2ccc(cc2)C#Cc3cc4C(=O)N(Cc4c(c3)C(F)(F)F)[CH](C(=O)Nc5sccn5)c6ncn7CCCc67 | InChi: | InChI=1S/C35H33F3N6O3S/c36-35(37,38)28-17-25(8-5-22-3-6-23(7-4-22)18-42-13-9-24(20-45)10-14-42)16-26-27(28)19-44(33(26)47)31(32(46)41-34-39-11-15-48-34)30-29-2-1-12-43(29)21-40-30/h3-4,6-7,11,15-17,21,24,31,45H,1-2,9-10,12-14,18-20H2,(H,39,41,46)/t31-/m1/s1 | Definition date: | 2022-06-07 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | (2~{R})-2-(6,7-dihydro-5~{H}-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1~{H}-isoindol-2-yl]-~{N}-(1,3-thiazol-2-yl)ethanamide |
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| KYO | Name: | (9S,14S,15R,16S,17R,18R,19R,20S,21S,25R)-5,6,18,20-tetrahydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-10,26-dioxo-1,3,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl benzoate | Formula: | C51 H72 N4 O11 | SMILES: | CC(C)CN1CCC2(CC1)Nc1c(N2)c2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)C(C)CCCC(C)C(O)C(C)C(O)C(C)C(OC(=O)c1ccccc1)C(C)C(OC)CCO4 | InChi: | InChI=1S/C51H72N4O11/c1-26(2)25-55-22-20-51(21-23-55)53-38-35-36-43(58)32(8)46-37(35)47(60)50(9,66-46)64-24-19-34(63-10)29(5)45(65-49(62)33-17-12-11-13-18-33)31(7)42(57)30(6)41(56)27(3)15-14-16-28(4)48(61)52-40(44(36)59)39(38)54-51/h11-13,17-18,26-31,34,41-42,45,53-54,56-59H,14-16,19-25H2,1-10H3,(H,52,61)/t27-,28+,29+,30+,31+,34-,41-,42+,45+,50-/m0/s1 | Definition date: | 2022-02-23 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | (9S,14S,15R,16S,17R,18R,19R,20S,21S,25R)-5,6,18,20-tetrahydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-10,26-dioxo-1,3,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl benzoate |
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| JYX | Name: | 3-ethylimidazo[4,5-b]pyridin-2-amine | Formula: | C8 H10 N4 | SMILES: | CCn1c(N)nc2cccnc12 | InChi: | InChI=1S/C8H10N4/c1-2-12-7-6(11-8(12)9)4-3-5-10-7/h3-5H,2H2,1H3,(H2,9,11) | Definition date: | 2022-05-16 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | 3-ethylimidazo[4,5-b]pyridin-2-amine |
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| 9I4 | Name: | (2-{[3-({4-[2-(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzamido)ethyl]piperazin-1-yl}methyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid | Formula: | C46 H41 N3 O7 | SMILES: | O=C(O)Cc1c2cc(C)ccc2oc1C#Cc1cccc(c1)C(=O)NCCN1CCN(CC1)Cc1cccc(c1)C#Cc1oc2ccc(C)cc2c1CC(=O)O | InChi: | InChI=1S/C46H41N3O7/c1-30-9-13-40-36(23-30)38(27-44(50)51)42(55-40)15-11-32-5-3-7-34(25-32)29-49-21-19-48(20-22-49)18-17-47-46(54)35-8-4-6-33(26-35)12-16-43-39(28-45(52)53)37-24-31(2)10-14-41(37)56-43/h3-10,13-14,23-26H,17-22,27-29H2,1-2H3,(H,47,54)(H,50,51)(H,52,53) | Definition date: | 2021-10-13 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | (2-{[3-({4-[2-(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzamido)ethyl]piperazin-1-yl}methyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid |
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| LK9 | Name: | 3-azanyl-2-(phenylmethyl)benzo[f]quinoxalin-8-ol | Formula: | C19 H15 N3 O | SMILES: | Nc1nc2ccc3cc(O)ccc3c2nc1Cc4ccccc4 | InChi: | InChI=1S/C19H15N3O/c20-19-17(10-12-4-2-1-3-5-12)21-18-15-8-7-14(23)11-13(15)6-9-16(18)22-19/h1-9,11,23H,10H2,(H2,20,22) | Definition date: | 2022-07-05 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | 3-azanyl-2-(phenylmethyl)benzo[f]quinoxalin-8-ol |
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| 9UR | Name: | (2S,5R,7R,8R,10S,12aR,14R,15R,15aR,16R)-7-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione | Formula: | C20 H24 N10 O13 P2 | SMILES: | Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC3C(OC(COP(=O)(O)OC2C1O)C3O)n1cnc2c1NC(N)=NC2=O | InChi: | InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12+,13-,18-,19-/m1/s1 | Definition date: | 2021-10-27 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | (2S,5R,7R,8R,10S,12aR,14R,15R,15aR,16R)-7-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione |
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| 7PB | Name: | N-[3-[[6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide | Formula: | C21 H21 N5 O2 | SMILES: | COc1cccc(Nc2cc(Nc3cccc(NC(=O)C4CC4)c3)ncn2)c1 | InChi: | InChI=1S/C21H21N5O2/c1-28-18-7-3-6-17(11-18)25-20-12-19(22-13-23-20)24-15-4-2-5-16(10-15)26-21(27)14-8-9-14/h2-7,10-14H,8-9H2,1H3,(H,26,27)(H2,22,23,24,25) | Definition date: | 2021-10-12 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | ~{N}-[3-[[6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide |
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| 7PL | Name: | N-[3-[[6-[[3-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide | Formula: | C21 H18 F3 N5 O | SMILES: | FC(F)(F)c1cccc(Nc2cc(Nc3cccc(NC(=O)C4CC4)c3)ncn2)c1 | InChi: | InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(9-14)27-18-11-19(26-12-25-18)28-16-5-2-6-17(10-16)29-20(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,29,30)(H2,25,26,27,28) | Definition date: | 2021-10-12 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | ~{N}-[3-[[6-[[3-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide |
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| 7PU | Name: | N-[3-[[6-[[3-[bis(fluoranyl)methyl]phenyl]amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide | Formula: | C21 H19 F2 N5 O | SMILES: | FC(F)c1cccc(Nc2cc(Nc3cccc(NC(=O)C4CC4)c3)ncn2)c1 | InChi: | InChI=1S/C21H19F2N5O/c22-20(23)14-3-1-4-15(9-14)26-18-11-19(25-12-24-18)27-16-5-2-6-17(10-16)28-21(29)13-7-8-13/h1-6,9-13,20H,7-8H2,(H,28,29)(H2,24,25,26,27) | Definition date: | 2021-10-12 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | ~{N}-[3-[[6-[[3-[bis(fluoranyl)methyl]phenyl]amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide |
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| 7TU | Name: | (4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole | Formula: | C38 H34 N4 | SMILES: | C(N1C=N[CH]([CH]1c2ccccc2)c3ccccc3)c4cccc(CN5C=N[CH]([CH]5c6ccccc6)c7ccccc7)c4 | InChi: | InChI=1S/C38H34N4/c1-5-16-31(17-6-1)35-37(33-20-9-3-10-21-33)41(27-39-35)25-29-14-13-15-30(24-29)26-42-28-40-36(32-18-7-2-8-19-32)38(42)34-22-11-4-12-23-34/h1-24,27-28,35-38H,25-26H2/t35-,36-,37-,38-/m0/s1 | Definition date: | 2021-10-26 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | (4~{S},5~{S})-1-[[3-[[(4~{S},5~{S})-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole |
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| OIF | Name: | 2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethane-1-sulfonic acid | Formula: | C9 H8 N2 O4 S2 | SMILES: | O=S(=O)(O)CC(=O)Nc1nc2ccccc2s1 | InChi: | InChI=1S/C9H8N2O4S2/c12-8(5-17(13,14)15)11-9-10-6-3-1-2-4-7(6)16-9/h1-4H,5H2,(H,10,11,12)(H,13,14,15) | Definition date: | 2022-05-03 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | 2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethane-1-sulfonic acid |
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| ORZ | Name: | precondylocarpine acetate | Formula: | C23 H27 N2 O4 | SMILES: | COC(=O)[C]1(COC(C)=O)[CH]2CC[N+](=CC2=CC)CCc3c1[nH]c4ccccc34 | InChi: | InChI=1S/C23H27N2O4/c1-4-16-13-25-11-9-18-17-7-5-6-8-20(17)24-21(18)23(22(27)28-3,14-29-15(2)26)19(16)10-12-25/h4-8,13,19,24H,9-12,14H2,1-3H3/q+1/b16-4-/t19-,23-/m0/s1 | Synonyms: | methyl (1~{S},2~{S},16~{E})-2-(acetyloxymethyl)-16-ethylidene-4-aza-14-azoniatetracyclo[12.2.2.0^{3,11}.0^{5,10}]octadeca-3(11),5(10),6,8,14-pentaene-2-carboxylate | Definition date: | 2022-09-19 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | methyl (1~{S},2~{S},16~{E})-2-(acetyloxymethyl)-16-ethylidene-4-aza-14-azoniatetracyclo[12.2.2.0^{3,11}.0^{5,10}]octadeca-3(11),5(10),6,8,14-pentaene-2-carboxylate |
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| OSO | Name: | stemmadenine acetate | Formula: | C23 H29 N2 O4 | SMILES: | COC(=O)[C]1(COC(C)=O)[CH]2CC[NH+](CCc3c1[nH]c4ccccc34)CC2=CC | InChi: | InChI=1S/C23H28N2O4/c1-4-16-13-25-11-9-18-17-7-5-6-8-20(17)24-21(18)23(22(27)28-3,14-29-15(2)26)19(16)10-12-25/h4-8,19,24H,9-14H2,1-3H3/p+1/b16-4-/t19-,23-/m0/s1 | Synonyms: | methyl (1~{S},2~{S},14~{S})-2-(acetyloxymethyl)-16-ethylidene-4-aza-14-azoniatetracyclo[12.2.2.0^{3,11}.0^{5,10}]octadeca-3(11),5,7,9-tetraene-2-carboxylate | Definition date: | 2022-09-19 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | methyl (1~{S},2~{S},14~{S})-2-(acetyloxymethyl)-16-ethylidene-4-aza-14-azoniatetracyclo[12.2.2.0^{3,11}.0^{5,10}]octadeca-3(11),5,7,9-tetraene-2-carboxylate |
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| 6IQ | Name: | 1-[2,5-bis(chloranyl)phenyl]sulfonylbenzimidazole | Formula: | C13 H8 Cl2 N2 O2 S | SMILES: | Clc1ccc(Cl)c(c1)[S](=O)(=O)n2cnc3ccccc23 | InChi: | InChI=1S/C13H8Cl2N2O2S/c14-9-5-6-10(15)13(7-9)20(18,19)17-8-16-11-3-1-2-4-12(11)17/h1-8H | Definition date: | 2022-02-15 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | 1-[2,5-bis(chloranyl)phenyl]sulfonylbenzimidazole |
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| C6I | Name: | 6-azanyl-2-cyclohexyl-4-fluoranyl-1~{H}-pyrrolo[3,4-c]pyridin-3-one | Formula: | C13 H16 F N3 O | SMILES: | Nc1cc2CN(C3CCCCC3)C(=O)c2c(F)n1 | InChi: | InChI=1S/C13H16FN3O/c14-12-11-8(6-10(15)16-12)7-17(13(11)18)9-4-2-1-3-5-9/h6,9H,1-5,7H2,(H2,15,16) | Definition date: | 2021-12-14 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | 6-azanyl-2-cyclohexyl-4-fluoranyl-1~{H}-pyrrolo[3,4-c]pyridin-3-one |
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| RT6 | Name: | (1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside | Formula: | C19 H33 N O9 | SMILES: | OCC1=CC(NC2CCCCC2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O | InChi: | InChI=1S/C19H33NO9/c21-7-9-6-11(20-10-4-2-1-3-5-10)13(23)16(26)18(9)29-19-17(27)15(25)14(24)12(8-22)28-19/h6,10-27H,1-5,7-8H2/t11-,12+,13-,14+,15-,16+,17+,18+,19+/m0/s1 | Definition date: | 2022-05-02 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | (1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside |
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| 8IK | Name: | (2S)-2-azanyl-3-(6-methyl-1H-indol-3-yl)propanoic acid | Formula: | C12 H14 N2 O2 | SMILES: | Cc1ccc2c(C[CH](N)C(O)=O)c[nH]c2c1 | InChi: | InChI=1S/C12H14N2O2/c1-7-2-3-9-8(5-10(13)12(15)16)6-14-11(9)4-7/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1 | Definition date: | 2021-12-15 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | (2~{S})-2-azanyl-3-(6-methyl-1~{H}-indol-3-yl)propanoic acid |
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| 98F | Name: | 9-[(1R,6R,8R,13E,15R,17R,18R)-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,16-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadec-13-en-8-yl]purin-6-amine | Formula: | C21 H22 F2 N10 O9 P2 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5C=C[P](O)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67 | InChi: | InChI=1S/C21H22F2N10O9P2/c22-10-14-8(39-20(10)32-6-30-12-16(24)26-4-28-18(12)32)1-2-43(34,35)41-15-9(3-38-44(36,37)42-14)40-21(11(15)23)33-7-31-13-17(25)27-5-29-19(13)33/h1-2,4-11,14-15,20-21H,3H2,(H,34,35)(H,36,37)(H2,24,26,28)(H2,25,27,29)/b2-1+/t8-,9-,10-,11-,14-,15-,20-,21-/m1/s1 | Definition date: | 2021-11-10 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},13~{E},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,16-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadec-13-en-8-yl]purin-6-amine |
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| DD0 | Name: | 2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one | Formula: | C14 H18 F2 N4 O3 | SMILES: | COc1nc(N)nc2CN([CH]3[CH](O)CCCCC3(F)F)C(=O)c12 | InChi: | InChI=1S/C14H18F2N4O3/c1-23-11-9-7(18-13(17)19-11)6-20(12(9)22)10-8(21)4-2-3-5-14(10,15)16/h8,10,21H,2-6H2,1H3,(H2,17,18,19)/t8-,10-/m0/s1 | Definition date: | 2021-12-14 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | 2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one |
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| IX9 | Name: | 6-(3-methylphenoxy)-2-[4-(pyridin-2-yl)piperazin-1-yl]-9H-purine | Formula: | C21 H21 N7 O | SMILES: | Cc1cc(ccc1)Oc1nc(nc2[NH]cnc12)N1CCN(CC1)c1ccccn1 | InChi: | InChI=1S/C21H21N7O/c1-15-5-4-6-16(13-15)29-20-18-19(24-14-23-18)25-21(26-20)28-11-9-27(10-12-28)17-7-2-3-8-22-17/h2-8,13-14H,9-12H2,1H3,(H,23,24,25,26) | Definition date: | 2022-02-01 | Last modified: | 2022-10-14 | Release date: | 2022-10-19 | Identifier: | 6-(3-methylphenoxy)-2-[4-(pyridin-2-yl)piperazin-1-yl]-9H-purine |
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| J4I | Name: | 6-{[(5-methoxy-3,4,6-trimethylpyridin-2-yl)methyl]sulfanyl}-2H,5H-[1,3]dioxolo[4,5-f]benzimidazole | Formula: | C18 H19 N3 O3 S | SMILES: | Cc1c(C)c(OC)c(C)nc1CSc1[NH]c2cc3OCOc3cc2n1 | InChi: | InChI=1S/C18H19N3O3S/c1-9-10(2)17(22-4)11(3)19-14(9)7-25-18-20-12-5-15-16(24-8-23-15)6-13(12)21-18/h5-6H,7-8H2,1-4H3,(H,20,21) | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | 6-{[(5-methoxy-3,4,6-trimethylpyridin-2-yl)methyl]sulfanyl}-2H,5H-[1,3]dioxolo[4,5-f]benzimidazole |
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| KDX | Name: | 9-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one | Formula: | C11 H9 N3 O2 | SMILES: | COc1cccc2[NH]c3c(N=CNC3=O)c21 | InChi: | InChI=1S/C11H9N3O2/c1-16-7-4-2-3-6-8(7)9-10(14-6)11(15)13-5-12-9/h2-5,14H,1H3,(H,12,13,15) | Definition date: | 2022-02-03 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | 9-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
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